| SpectraBase Compound ID | 9TyP11uEtJZ |
|---|---|
| InChI | InChI=1S/C12H11NO3/c1-7(13-2)10-11(14)8-5-3-4-6-9(8)16-12(10)15/h3-6,13H,1-2H3/b10-7+ |
| InChIKey | IBLBKLRKJKLSGP-JXMROGBWSA-N |
| Mol Weight | 217.22 g/mol |
| Molecular Formula | C12H11NO3 |
| Exact Mass | 217.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48dQMm9TFl |
|---|---|
| Name | 3-(1-Methyl-2-methylamino-ethylidene)-chroman-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.073893215 u |
| Formula | C12H11NO3 |
| InChI | InChI=1S/C12H11NO3/c1-7(13-2)10-11(14)8-5-3-4-6-9(8)16-12(10)15/h3-6,13H,1-2H3/b10-7+ |
| InChIKey | IBLBKLRKJKLSGP-JXMROGBWSA-N |
| Molecular Weight | 217.224 g/mol |
| SMILES | C1(\C(C(C2=C(O1)C=CC=C2)=O)=C/(NC)C)=O |